Compound Detail
CHEMBL4211585
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Basic Information
| ChEMBL ID | CHEMBL4211585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFSRUPFHMOEJGN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.2
MW (Da)
3.21
ALogP
6
HBA
1
HBD
94.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| VP1 capsid protein CHEMBL3833484 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| VP1 capsid protein | EC50 | = | 250.0 | nM | 6.6 | Inhibition of Rhinovirus B14 capsid infected in human HeLa Rh cells assessed as ... | 30153009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30153009 | 10.1021/acs.jmedchem.8b00931 | Unchecked | 2 |
| 30153009 | 10.1021/acs.jmedchem.8b00931 | VP1 capsid protein | 1 |
Data from ChEMBL 36 via Core Engine